Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Thiourea SCHEMBL9443298 | 0.92 | TSHR (0.39) | OPRM1CA1CA2SPHK1TP53 | |
| Pentane SCHEMBL8008370 | 0.84 | TSHR (0.50) | OPRM1CA1SPHK1TP53TSHR | |
| Hexane SCHEMBL11782650 | 0.78 | OPRM1 (0.50) | OPRM1CA1SPHK1TP53TSHR | |
| Hexane SCHEMBL1779631 | 0.78 | OPRM1 (0.50) | OPRM1CA1SPHK1TP53TSHR | |
| Pentane SCHEMBL10425876 | 0.77 | CA1 (0.38) | OPRM1CA1CA2SPHK1TP53 | |
| Decane SCHEMBL27740172 | 0.75 | TSHR (0.53) | OPRM1SPHK1TSHRLMNAALDH1A1 | |
| Octane SCHEMBL3817777 | 0.75 | TSHR (0.53) | OPRM1SPHK1TSHRLMNAALDH1A1 | |
| Heptane SCHEMBL6448789 | 0.75 | TSHR (0.53) | OPRM1SPHK1TSHRLMNAALDH1A1 | |
| Pentane SCHEMBL28422773 | 0.75 | CHRM1 (0.44) | CA1CA2TDP1 | |
| Pentane SCHEMBL28427118 | 0.75 | CHRM1 (0.44) | CA1CA2TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4952513-A | NOT FOR KETONES AND ALDEHYDES; FORMING REACTION PRODUCT IN SITU WITH DERIVATIZING AGENT | CRYSTAL DIAGNOSTICS, INC. (US) | 1990-08-28 | — | — | US | disclosed |